2-[2-[[4-azanyl-5-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoyl-methyl-amino]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[2-[[4-azanyl-5-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoyl-methyl-amino]-N-cyclopropyl-ethanamide Openeye Name: 2-[[2-[[4-amino-5-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]-methyl-amino]-N-cyclopropyl-acetamide CAS Name: 2-[[2-[[4-amino-5-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-methylamino]-N-cyclopropylacetamide IUPAC Name: 2-[[2-[[4-amino-5-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]-methylamino]-N-cyclopropylacetamide Traditional Name: 2-[[2-[[4-amino-5-(4-fluorobenzyl)-1,2,4-triazol-3-yl]thio]acetyl]-methyl-amino]-N-cyclopropyl-acetamide Formula: C17H21FN6O2S MolecularWeight: 392.451043

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1CC1)C(=O)CSC2=NN=C(N2N)CC3=CC=C(C=C3)F

Isomeric SMILES

CN(CC(=O)NC1CC1)C(=O)CSC2=NN=C(N2N)CC3=CC=C(C=C3)F

InChI

InChI=1S/C17H21FN6O2S/c1-23(9-15(25)20-13-6-7-13)16(26)10-27-17-22-21-14(24(17)19)8-11-2-4-12(18)5-3-11/h2-5,13H,6-10,19H2,1H3,(H,20,25)